articlePhysical Review LettersMay 4, 2005GREEN OA

Computational Complexity and Fundamental Limitations to Fermionic Quantum Monte Carlo Simulations

ETH Zurich · University of Bern

PubMed
Indexed inarxivcrossrefpubmed

Abstract

Quantum Monte Carlo simulations, while being efficient for bosons, suffer from the "negative sign problem" when applied to fermions--causing an exponential increase of the computing time with the number of particles. A polynomial time solution to the sign problem is highly desired since it would provide an unbiased and numerically exact method to simulate correlated quantum systems. Here we show that such a solution is almost certainly unattainable by proving that the sign problem is nondeterministic polynomial (NP) hard, implying that a generic solution of the sign problem would also solve all problems in the complexity class NP in polynomial time.

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1,252
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11.86
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100%
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Authors

2

Topics & keywords

Keywords
  • Statistical physics
  • Monte Carlo method
  • Quantum Monte Carlo
  • Physics
  • Monte Carlo molecular modeling
  • Computer science
  • Markov chain Monte Carlo
  • Mathematics
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